OpenFreeEnergy / OpenFreeEnergy/openfe
Create mixed RBFE & SepTop networks
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 331
- Forks
- 56
- Avg merge
- 3d 9h
- Merged PRs (30d)
- 13
Description
Assuming they provide extra benefits (Mobley lab to investigate), we should benchmark running a mix network combining RBFEs and SepTop.
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
The issue does not name files, tests, or entry points. Start by clarifying what benefits the mixed RBFE and SepTop network should provide with the Mobley lab, then identify a benchmark and comparison criteria; done means the proposed mixed network has been benchmarked and its results assessed.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- backend
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100